SCHEMBL4969602

SCHEMBL4969602

CNc1[c]nccc1CCOC

nearest known ligand 0.33

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ADRA1A P35348 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL15415167 0.79
SCHEMBL2067458 0.75 AOC1 (0.31)
SCHEMBL1419101 0.71
SCHEMBL2066910 0.67 KDM4E (0.36)
SCHEMBL2068113 0.66
SCHEMBL2068918 0.65
SCHEMBL2067231 0.65
SCHEMBL3525003 0.65 ADRA1A (0.33) ADRA1A
SCHEMBL6031561 0.63 NOS2 (0.44) ADRA1A
SCHEMBL30676176 0.63 NOS2 (0.44) ADRA1A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1606277-B8 IMIDAZOL-4-YL-ETHYNYL-PYRIDINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2008-10-15 EP disclosed
EP-1606277-A1 IMIDAZOL-4-YL-ETHYNYL-PYRIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2005-12-21 EP disclosed
WO-2004080998-A1 IMIDAZOL-4-YL-ETHYNYL-PYRIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2004-09-23 WO disclosed